(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid

C9H14N2O5 — CID 168695887

IUPAC(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
SMILESNC(=O)C1CC(=O)N(CC[C@H](O)C(=O)O)C1
InChIInChI=1S/C9H14N2O5/c10-8(14)5-3-7(13)11(4-5)2-1-6(12)9(15)16/h5-6,12H,1-4H2,(H2,10,14)(H,15,16)/t5?,6-/m0/s1
InChIKeyWEROXYSYADTESU-GDVGLLTNSA-N
MW230.22 g/mol
LogP-1.84
Rot. Bonds5

About (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid

(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid (PubChem CID 168695887) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
PubChem CID168695887
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
SMILESNC(=O)C1CC(=O)N(CC[C@H](O)C(=O)O)C1
InChIInChI=1S/C9H14N2O5/c10-8(14)5-3-7(13)11(4-5)2-1-6(12)9(15)16/h5-6,12H,1-4H2,(H2,10,14)(H,15,16)/t5?,6-/m0/s1
InChIKeyWEROXYSYADTESU-GDVGLLTNSA-N
XLogP-1.84
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 70114955
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250
5-oxo-1-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 168697234
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 168697217

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid (CID 168695887) is (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid is NC(=O)C1CC(=O)N(CC[C@H](O)C(=O)O)C1.
What is the InChIKey of (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid?
The InChIKey is WEROXYSYADTESU-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H14N2O5/c10-8(14)5-3-7(13)11(4-5)2-1-6(12)9(15)16/h5-6,12H,1-4H2,(H2,10,14)(H,15,16)/t5?,6-/m0/s1.
What are the key properties of (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid?
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid has a molecular weight of 230.22 g/mol, XLogP of -1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid is sourced from PubChem (CID 168695887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).